- InChI
- InChI=1S/C20H30O2/c1-13(2)15-10-14-6-7-18-19(3,4)8-5-9-20(18,12-21)16(14)11-17(15)22/h10-11,13,18,21-22H,5-9,12H2,1-4H3
- InChI Key
- NKGGFTFDYGTUSL-UHFFFAOYSA-N
- Formula
- C20H30O2
- SMILES
-
CC(C)c1cc2c(cc1O)C1(CO)CCCC(C)
(C)C1CC2 - Molecular Weight1
- 302.45
- CAS
- 24035-36-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -4.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.518 | Crippen Calculated Property | |
| McVol | 258.920 | ml/mol | McGowan Calculated Property |
| Pc | 2027.23 | kPa | Joback Calculated Property |
| Inp | [2615.40; 2615.40] |
|
|
| Inp | 2615.40 | NIST | |
| Inp | 2615.40 | NIST | |
| Tboil | 883.83 | K | Joback Calculated Property |
| Tc | 1112.08 | K | Joback Calculated Property |
| Tfus | 596.56 | K | Joback Calculated Property |
| Vc | 0.919 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.53; 1036.79] | J/mol×K | [883.83; 1112.08] |
|
| Cp,gas | 879.53 | J/mol×K | 883.83 | Joback Calculated Property |
| Cp,gas | 902.42 | J/mol×K | 921.87 | Joback Calculated Property |
| Cp,gas | 926.17 | J/mol×K | 959.91 | Joback Calculated Property |
| Cp,gas | 951.14 | J/mol×K | 997.95 | Joback Calculated Property |
| Cp,gas | 977.67 | J/mol×K | 1036.00 | Joback Calculated Property |
| Cp,gas | 1006.10 | J/mol×K | 1074.04 | Joback Calculated Property |
| Cp,gas | 1036.79 | J/mol×K | 1112.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pisiferol.
Sources
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